SCHEMBL18666953

SCHEMBL18666953

Nc1ncnn2c([C@@]3(O)C[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.35
▸ HSPA5 P11021 2/20 0.35
▸ PDE2A O00408 2/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ RIPK1 Q13546 4/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ GJB2 P29033 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13667812 1.00 TNK2 (0.35) TNK2HSPA5PDE2APDE4DTAAR1
SCHEMBL23822775 1.00 TNK2 (0.35) TNK2HSPA5PDE2APDE4DTAAR1
SCHEMBL23822961 0.88 TNK2 (0.38) TNK2HSPA5PDE2ATAAR1RIPK1
SCHEMBL22570014 0.87 PDE4D (0.32) TNK2HSPA5PDE4DBCHEACHE
SCHEMBL23959858 0.86 TNK2 (0.33) TNK2HSPA5PDE2APDE4DTAAR1
SCHEMBL22355569 0.86 TNK2 (0.33) TNK2HSPA5PDE2APDE4DTAAR1
SCHEMBL12393373 0.82 PDE2A (0.37) TNK2HSPA5PDE2ABCHEGJB2
SCHEMBL27086454 0.82 PDE2A (0.37) TNK2HSPA5PDE2ABCHEGJB2
SCHEMBL31063739 0.82 PDE2A (0.37) TNK2HSPA5PDE2ABCHEGJB2
SCHEMBL12243141 0.82 PDE2A (0.37) TNK2HSPA5PDE2ABCHEGJB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 — — WO disclosed
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